ChemSpider 2D Image | Ethylene oxide | C2H4O

Ethylene oxide

  • Molecular FormulaC2H4O
  • Average mass44.053 Da
  • Monoisotopic mass44.026215 Da
  • ChemSpider ID6114

More details:



Featured data source



Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1,2-Epoxyaethan [German]
200-849-9 [EINECS]
75-21-8 [RN]
Dimethylene oxide
EO
Epoxyethane
Ethene oxide
Ethyleenoxide [Dutch]
Ethylene (oxyde d') [French]
Ethylene oxide [Wiki]
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

ENT 26263 [DBID]
03901_FLUKA [DBID]
387614_ALDRICH [DBID]
AI3-26263 [DBID]
c0527 [DBID]
C06548 [DBID]
Caswell No. 443 [DBID]
CCRIS 297 [DBID]
CHEBI:27561 [DBID]
DER 736 [DBID]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Colorless gas or liquid (below 51F) with an ether-like odor. NIOSH KX2450000
      colourless gas Oxford University Chemical Safety Data (No longer updated) More details
    • Toxicity:

      ORL-RAT LD50 72 mg kg-1, SCU-RAT LD50 187 mg kg-1 Oxford University Chemical Safety Data (No longer updated) More details
    • First-Aid:

      Eye: Irrigate immediately Skin: Water flush immediately Breathing: Respiratory support Swallow: Medical attention immediately (liquid) NIOSH KX2450000
    • Exposure Routes:

      inhalation, ingestion (liquid), skin and/or eye contact NIOSH KX2450000
    • Symptoms:

      Irritation eyes, skin, nose, throat; peculiar taste; headache; nausea, vomiting, diarrhea; dyspnea (breathing difficulty), cyanosis, pulmonary edema; drowsiness, lassitude (weakness, exhaustion), inco ordination; EKG abnormalities; eye, skin burns (liquid or high vapor concentration); liquid: frostbite; reproductive effects; [potential occupational carcinogen]; in animals: convulsions; liver, kidne y damage NIOSH KX2450000
    • Target Organs:

      Eyes, skin, respiratory system, liver, central nervous system, blood, kidneys, reproductive system Cancer Site [peritoneal cancer, leukemia] NIOSH KX2450000
    • Incompatibility:

      Strong acids, alkalis & oxidizers; chlorides of iron, aluminum & tin; oxides of iron & aluminum; water NIOSH KX2450000
    • Personal Protection:

      Skin: Prevent skin contact (liquid) Eyes: Prevent eye contact (liquid) Wash skin: When contaminated (liquid) Remove: When wet (flammable) Change: No recommendation Provide: Quick drench (liquid) NIOSH KX2450000
    • Exposure Limits:

      NIOSH REL : Ca TWA 3 ) C 5 ppm (9 mg/m 3 ) [10-min/day] See Appendix A OSHA PEL : [1910.1047] TWA 1 ppm 5 ppm [15-minute Excursion] NIOSH KX2450000
  • Gas Chromatography
    • Retention Index (Kovats):

      349 (estimated with error: 68) NIST Spectra mainlib_18867, replib_61296, replib_18868
      397 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column type: Packed; Start T: 120 C; CAS no: 75218; Active phase: Apiezon L; Substrate: Celite 545; Data type: Kovats RI; Authors: Bogoslovsky, Yu.N.; Anvaer, B.I.; Vigdergauz, M.S., Chromatographic constants in gas chromatography (in Russian), Standards Publ. House, Moscow, 1978, 192.) NIST Spectra nist ri
      410 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column type: Packed; Start T: 160 C; CAS no: 75218; Active phase: Apiezon L; Substrate: Celite 545; Data type: Kovats RI; Authors: Bogoslovsky, Yu.N.; Anvaer, B.I.; Vigdergauz, M.S., Chromatographic constants in gas chromatography (in Russian), Standards Publ. House, Moscow, 1978, 192.) NIST Spectra nist ri
    • Retention Index (Normal Alkane):

      417 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.20 mm; Column length: 25 m; Column type: Capillary; Heat rate: 6 K/min; Start T: 50 C; End T: 250 C; CAS no: 75218; Active phase: OV-101; Carrier gas: N2/He; Phase thickness: 0.10 um; Data type: Normal alkane RI; Authors: Zenkevich, I.G., Experimentally measured retention indices., 2005., Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 75218; Active phase: Methyl Silicone; Data type: Normal alkane RI; Authors: Farkas, O.; Heberger, K.; Zenkevich, I.G., Quantitative structure-retention relationships. XIV. Prediction of gas chromatographic retention indices for saturated O-, N-, and S-heterocyclic compounds, Chemom. Intell. Lab. Syst., 72, 2004, 173-184.) NIST Spectra nist ri
      405.3 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.53 mm; Column type: Capillary; Heat rate: 4 K/min; Start T: 35 C; End T: 220 C; End time: 2 min; Start time: 10 min; CAS no: 75218; Active phase: RTX-1; Carrier gas: He; Phase thickness: 3 um; Data type: Normal alkane RI; Authors: Restek, Restek International, 1999 Product Guide, 1(1), 1999, 578-591, In original 578-591.) NIST Spectra nist ri
      405 (Program type: Complex; Column... (show more) class: Standard non-polar; Column diameter: 0.53 mm; Column length: 60 m; Column type: Capillary; Description: 40C(6min)=>5C/min=>80C=>10C/min=>200C; CAS no: 75218; Active phase: SPB-1; Carrier gas: He; Phase thickness: 5 um; Data type: Normal alkane RI; Authors: Flanagan, R.J.; Streete, P.J.; Ramsey, J.D., Volatile Substance Abuse, UNODC Technical Series, No 5, United Nations, Office on Drugs and Crime, Vienna International Centre, PO Box 500, A-1400 Vienna, Austria, 1997, 56.) NIST Spectra nist ri
      400 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 75218; Active phase: OV-1; Data type: Normal alkane RI; Authors: Ramsey, J.D.; Flanagan, R.J., Detection and Identification of Volatile Organic Compounds in Blood by Headspace Gas Chromatography as an Aid to the Diagnosis of Solvent Abuse, J. Chromatogr., 240, 1982, 423-444.) NIST Spectra nist ri
      680 (Program type: Ramp; Column cl... (show more) ass: Standard polar; Column type: Capillary; CAS no: 75218; Active phase: Carbowax 20M; Data type: Normal alkane RI; Authors: Ramsey, J.D.; Flanagan, R.J., Detection and Identification of Volatile Organic Compounds in Blood by Headspace Gas Chromatography as an Aid to the Diagnosis of Solvent Abuse, J. Chromatogr., 240, 1982, 423-444.) NIST Spectra nist ri

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 10.7±0.0 °C at 760 mmHg
Vapour Pressure: 1255.4±0.0 mmHg at 25°C
Enthalpy of Vaporization: 25.5±0.0 kJ/mol
Flash Point: -49.0±15.3 °C
Index of Refraction: 1.404
Molar Refractivity: 10.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.80
ACD/LogD (pH 5.5): -0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.89
ACD/LogD (pH 7.4): -0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.89
Polar Surface Area: 13 Å2
Polarizability: 4.3±0.5 10-24cm3
Surface Tension: 31.3±3.0 dyne/cm
Molar Volume: 44.3±3.0 cm3

Predicted data is generated using the US Environmental Protection Agency’s EPISuite™

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  -0.05
    Log Kow (Exper. database match) =  -0.30
       Exper. Ref:  Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  12.29  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -109.30  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.25E+003  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -111.7 deg C
    BP  (exp database):  10.6 deg C
    VP  (exp database):  1.31E+03 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.374e+005
       log Kow used: -0.30 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1e+006 mg/L (25 deg C)
        Exper. Ref:  SCHULTZE,HC (1965)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3.2072e+005 mg/L
    Wat Sol (Exper. database match) =  1000000.00
       Exper. Ref:  SCHULTZE,HC (1965)

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Epoxides

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.20E-004  atm-m3/mole
   Group Method:   5.23E-005  atm-m3/mole
   Exper Database: 1.48E-04  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  1.856E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -0.30  (exp database)
  Log Kaw used:  -2.218  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  1.918
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.3792
   Biowin2 (Non-Linear Model)     :   0.2599
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0931  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7744  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6220
   Biowin6 (MITI Non-Linear Model):   0.8348
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3388
 Ready Biodegradability Prediction:   YES

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  1.75E+005 Pa (1.31E+003 mm Hg)
  Log Koa (Koawin est  ): 1.918
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.72E-011 
       Octanol/air (Koa) model:  2.03E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  6.2E-010 
       Mackay model           :  1.37E-009 
       Octanol/air (Koa) model:  1.63E-009 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.2803 E-12 cm3/molecule-sec
      Half-Life =    38.157 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 9.97E-010 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1.435
      Log Koc:  0.157 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Ka (acid-catalyzed) at 25 deg C :  1.718E-002  L/mol-sec
  Ka Half-Life at pH 7:      12.785  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.500 (BCF = 3.162)
       log Kow used: -0.30 (expkow database)

 Volatilization from Water:
    Henry LC:  0.000148 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      3.303  hours
    Half-Life from Model Lake :      91.68  hours   (3.82 days)

 Removal In Wastewater Treatment:
    Total removal:               8.60  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.65  percent
    Total to Air:                6.86  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       23.1            3.38e+003    1000       
   Water     43              360          1000       
   Soil      33.8            720          1000       
   Sediment  0.079           3.24e+003    0          
     Persistence Time: 254 hr




                    

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